7-Hydroxy-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3,4-dihydrochromen-2-one

Details

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Internal ID c58012d7-43e5-41dc-aa03-d1ee27a35e69
Taxonomy Phenylpropanoids and polyketides > Neoflavonoids > Neoflavans
IUPAC Name 7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3,4-dihydrochromen-2-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C25H22O7/c1-30-21-9-14(4-7-19(21)27)3-5-16-10-17(26)12-23-25(16)18(13-24(29)32-23)15-6-8-20(28)22(11-15)31-2/h3-12,18,26-28H,13H2,1-2H3
InChI Key HUNGNQPYCWAZFI-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C25H22O7
Molecular Weight 434.40 g/mol
Exact Mass 434.13655304 g/mol
Topological Polar Surface Area (TPSA) 105.00 Ų
XlogP 4.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 7-Hydroxy-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3,4-dihydrochromen-2-one

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 99.67% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.53% 95.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 96.23% 85.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.85% 96.09%
CHEMBL3194 P02766 Transthyretin 95.29% 90.71%
CHEMBL4040 P28482 MAP kinase ERK2 94.33% 83.82%
CHEMBL1293249 Q13887 Kruppel-like factor 5 94.09% 86.33%
CHEMBL1806 P11388 DNA topoisomerase II alpha 93.50% 89.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 92.18% 96.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 91.65% 97.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.36% 94.45%
CHEMBL2581 P07339 Cathepsin D 90.24% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.89% 99.17%
CHEMBL2535 P11166 Glucose transporter 85.86% 98.75%
CHEMBL4208 P20618 Proteasome component C5 84.74% 90.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.70% 95.89%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 82.65% 99.15%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 81.44% 89.62%
CHEMBL241 Q14432 Phosphodiesterase 3A 81.31% 92.94%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 81.25% 99.23%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 138112485
LOTUS LTS0215901
wikiData Q105033923